Computational Identification of Functional Centers in Complex Proteins: A Step-by-Step Guide With Examples.

ABSTRACT: In proteins, functional centers consist of the key amino acids required to perform molecular functions such as catalysis, ligand-binding, hormone- and gas-sensing. These centers are often embedded within complex multi-domain proteins and can perform important cellular signaling functions that enable fine-tuning of temporal and spatial regulation of signaling molecules and networks. To discover hidden functional centers, we have developed a protocol that consists of the following sequential steps. The first is the assembly of a search motif based on the key amino acids in the functional center followed by querying proteomes of interest with the assembled motif. The second consists of a structural assessment of proteins that harbor the motif. This approach, that relies on the application of

SUBMITTER: Zhou W 

PROVIDER: S-EPMC9581015 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature